| Properties | Image |
|---|
| MNX_ID | MNXM1056062 |
 |
| reference | slm:000748499 |
| formula | C66H121N3O28 |
| global charge | 0 |
| mol weight | 1404.687 |
| InChIKey | ZHZDKHHHHQKWIG-KRSZARDJSA-N |
| InChI | InChI=1S/C66H121N3O28/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-40(77)39(69-46(78)30-28-26-24-22-19-16-14-12-10-8-6-2)36-88-64-55(85)53(83)58(44(34-73)92-64)94-65-56(86)54(84)59(45(35-74)93-65)95-66-57(87)61(51(81)43(33-72)91-66)97-63-48(68-38(4)76)60(50(80)42(32-71)90-63)96-62-47(67-37(3)75)52(82)49(79)41(31-70)89-62/h39-45,47-66,70-74,77,79-87H,5-36H2,1-4H3,(H,67,75)(H,68,76)(H,69,78)/t39-,40+,41+,42+,43+,44+,45+,47+,48+,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,59-,60+,61-,62-,63-,64+,65-,66-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H121N3O28/c1-5-7-9-11-13-15-17-18-20-21-23-25-27-29-40(77)39(69-46(78)30-28-26-24-22-19-16-14-12-10-8-6-2)36-88-64-55(85)53(83)58(44(34-73)92-64)94-65-56(86)54(84)59(45(35-74)93-65)95-66-57(87)61(51(81)43(33-72)91-66)97-63-48(68-38(4)76)60(50(80)42(32-71)90-63)96-62-47(67-37(3)75)52(82)49(79)41(31-70)89-62/h39-45,47-66,70-74,77,79-87H,5-36H2,1-4H3,(H,67,75)(H,68,76)(H,69,78)/t39-,40+,41+,42+,43+,44+,45+,47+,48+,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,59-,60+,61-,62-,63-,64+,65-,66-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C@H:40]([C@H:39]([CH2:36][O:88][C@H:64]1[C@H:55]([OH:85])[C@@H:53]([OH:83])[C@H:58]([O:94][C@H:65]2[C@H:56]([OH:86])[C@@H:54]([OH:84])[C@@H:59]([O:95][C@H:66]3[C@H:57]([OH:87])[C@@H:61]([O:97][C@H:63]4[C@H:48]([N:68]=[C:38]([CH3:4])[OH:76])[C@@H:60]([O:96][C@H:62]5[C@H:47]([N:67]=[C:37]([CH3:3])[OH:75])[C@@H:52]([OH:82])[C@@H:49]([OH:79])[C@@H:41]([CH2:31][OH:70])[O:89]5)[C@@H:50]([OH:80])[C@@H:42]([CH2:32][OH:71])[O:90]4)[C@@H:51]([OH:81])[C@@H:43]([CH2:33][OH:72])[O:91]3)[C@@H:45]([CH2:35][OH:74])[O:93]2)[C@@H:44]([CH2:34][OH:73])[O:92]1)[N:69]=[C:46]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:78])[OH:77] |
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